/*
- *
+ *
* This source code is part of
- *
+ *
* G R O M A C S
- *
+ *
* GROningen MAchine for Chemical Simulations
- *
+ *
* VERSION 3.2.0
* Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* of the License, or (at your option) any later version.
- *
+ *
* If you want to redistribute modifications, please consider that
* scientific software is very special. Version control is crucial -
* bugs must be traceable. We will be happy to consider code for
* inclusion in the official distribution, but derived work must not
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- *
+ *
* To help us fund GROMACS development, we humbly ask that you cite
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* For more info, check our website at http://www.gromacs.org
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* And Hey:
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*/
extern "C" {
#endif
-t_mdatoms *init_mdatoms(FILE *fp,gmx_mtop_t *mtop,gmx_bool bFreeEnergy);
+t_mdatoms *init_mdatoms(FILE *fp, gmx_mtop_t *mtop, gmx_bool bFreeEnergy);
-void atoms2md(gmx_mtop_t *mtop,t_inputrec *ir,
- int nindex,int *index,
- int start,int homenr,
- t_mdatoms *md);
+void atoms2md(gmx_mtop_t *mtop, t_inputrec *ir,
+ int nindex, int *index,
+ int start, int homenr,
+ t_mdatoms *md);
/* This routine copies the atoms->atom struct into md.
* If index!=NULL only the indexed atoms are copied.
*/
-void update_mdatoms(t_mdatoms *md,real lambda);
+void update_mdatoms(t_mdatoms *md, real lambda);
/* (Re)set all the mass parameters */
#ifdef __cplusplus